Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50606047
Substrate
n/a
Meas. Tech.
ChEMBL_2253556 (CHEMBL5167766)
IC50
>10000±n/a nM
Citation
 Huang, J; Zhang, J; Luo, B; Qiao, W; Qiu, Z; Song, R; Dai, Z; Sui, J; Xu, X; Ruan, S; Li, C; Luo, Y; Yang, T Discovery of a Novel Series of Imipridone Compounds as  J Med Chem 65:7629-7655 (2022) [PubMed] 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50606047
Synonyms:
CHEMBL5191392
Type:
Small organic molecule
Emp. Form.:
C23H22BrFN4O
Mol. Mass.:
469.349
SMILES:
Fc1ccc(CN2CCn3c2nc(=O)c2CN(Cc4ccccc4)CCc32)cc1Br
Structure:
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